USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 THR OG1 : rot -130:sc=-0.00681 USER MOD Set 1.2: A 92 GLN : amide:sc= 1.93 K(o=3.1,f=-4.4!) USER MOD Set 1.3: A 95 LYS NZ :NH3+ 159:sc= 1.21 (180deg=0) USER MOD Set 2.1: A 44 ASN : amide:sc= -3.77! C(o=-4.8!,f=-8.5!) USER MOD Set 2.2: A 47 SER OG : rot -41:sc= -0.614 USER MOD Set 2.3: A 56 TYR OH : rot -15:sc= -0.395 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.02 F(o=-4!,f=-1) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.26 F(o=-1.7!,f=-0.26) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 0.954 (180deg=0.729) USER MOD Single : A 23 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.8!) USER MOD Single : A 26 ASN : amide:sc= 0.898 K(o=0.9,f=-0.17) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.71! C(o=-5!,f=-2.7!) USER MOD Single : A 42 SER OG : rot 98:sc= 1.26 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.93! C(o=-3.3!,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0309 USER MOD Single : A 61 SER OG : rot 27:sc= -1.51! USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0251 F(o=-0.66!,f=-0.025) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 175:sc=-0.00175 (180deg=-0.0355) USER MOD Single : A 79 GLN :FLIP amide:sc=-0.00323 F(o=-3.7,f=-0.0032) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.791 F(o=-3!,f=-0.79) USER MOD Single : A 85 MET CE :methyl 169:sc= -3.58! (180deg=-3.7!) USER MOD Single : A 86 THR OG1 : rot 66:sc= 1.42 USER MOD Single : A 87 MET CE :methyl -159:sc= -0.199 (180deg=-0.718) USER MOD Single : A 90 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-4.1!) USER MOD Single : A 98 THR OG1 : rot -42:sc= 0.686 USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.09) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.377 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -8.305 -10.279 -3.498 1.00 0.00 N ATOM 154 CA VAL A 12 -8.419 -9.734 -4.828 1.00 0.00 C ATOM 155 C VAL A 12 -7.135 -8.996 -5.164 1.00 0.00 C ATOM 156 O VAL A 12 -6.776 -8.033 -4.491 1.00 0.00 O ATOM 157 CB VAL A 12 -9.621 -8.752 -4.957 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.747 -8.239 -6.385 1.00 0.00 C ATOM 159 CG2 VAL A 12 -10.924 -9.409 -4.513 1.00 0.00 C ATOM 0 HA VAL A 12 -8.590 -10.559 -5.519 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.428 -7.906 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.593 -7.555 -6.453 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.833 -7.715 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.905 -9.079 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.743 -8.698 -4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.122 -10.282 -5.135 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.839 -9.718 -3.471 1.00 0.00 H new ATOM 169 N VAL A 13 -6.425 -9.477 -6.143 1.00 0.00 N ATOM 170 CA VAL A 13 -5.212 -8.824 -6.591 1.00 0.00 C ATOM 171 C VAL A 13 -5.526 -7.975 -7.822 1.00 0.00 C ATOM 172 O VAL A 13 -6.267 -8.408 -8.707 1.00 0.00 O ATOM 173 CB VAL A 13 -4.067 -9.848 -6.887 1.00 0.00 C ATOM 174 CG1 VAL A 13 -4.460 -10.860 -7.959 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.770 -9.133 -7.257 1.00 0.00 C ATOM 0 H VAL A 13 -6.661 -10.327 -6.655 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.848 -8.181 -5.789 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.897 -10.407 -5.967 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.633 -11.549 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.336 -11.419 -7.628 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.693 -10.336 -8.886 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.992 -9.870 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.931 -8.525 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.459 -8.493 -6.431 1.00 0.00 H new ATOM 185 N GLN A 14 -5.021 -6.771 -7.855 1.00 0.00 N ATOM 186 CA GLN A 14 -5.290 -5.873 -8.952 1.00 0.00 C ATOM 187 C GLN A 14 -4.106 -4.942 -9.182 1.00 0.00 C ATOM 188 O GLN A 14 -3.332 -4.664 -8.249 1.00 0.00 O ATOM 189 CB GLN A 14 -6.603 -5.104 -8.686 1.00 0.00 C ATOM 190 CG GLN A 14 -6.605 -4.247 -7.424 1.00 0.00 C ATOM 191 CD GLN A 14 -6.446 -2.778 -7.729 1.00 0.00 C ATOM 192 OE1 GLN A 14 -5.244 -2.337 -7.799 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -7.417 -2.057 -7.927 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.416 -6.385 -7.130 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.423 -6.445 -9.870 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.811 -4.463 -9.543 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.420 -5.822 -8.620 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.538 -4.404 -6.882 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.797 -4.569 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.359 -2.442 -7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.283 -1.072 -8.156 1.00 0.00 H new ATOM 202 N ARG A 15 -3.972 -4.451 -10.392 1.00 0.00 N ATOM 203 CA ARG A 15 -2.851 -3.607 -10.748 1.00 0.00 C ATOM 204 C ARG A 15 -3.217 -2.145 -10.604 1.00 0.00 C ATOM 205 O ARG A 15 -4.381 -1.775 -10.743 1.00 0.00 O ATOM 206 CB ARG A 15 -2.325 -3.940 -12.189 1.00 0.00 C ATOM 207 CG ARG A 15 -3.288 -3.687 -13.369 1.00 0.00 C ATOM 208 CD ARG A 15 -3.343 -2.212 -13.801 1.00 0.00 C ATOM 209 NE ARG A 15 -2.078 -1.733 -14.404 1.00 0.00 N ATOM 210 CZ ARG A 15 -1.886 -0.485 -14.898 1.00 0.00 C ATOM 211 NH1 ARG A 15 -2.853 0.423 -14.826 1.00 0.00 N ATOM 212 NH2 ARG A 15 -0.729 -0.163 -15.471 1.00 0.00 N ATOM 0 H ARG A 15 -4.630 -4.622 -11.153 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.034 -3.812 -10.056 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.420 -3.357 -12.361 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.036 -4.991 -12.208 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.979 -4.296 -14.218 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.289 -4.014 -13.089 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.153 -2.080 -14.519 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.581 -1.595 -12.935 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.297 -2.387 -14.451 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.747 0.183 -14.397 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.702 1.360 -15.200 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.016 -0.856 -15.540 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.588 0.777 -15.842 1.00 0.00 H new ATOM 226 N VAL A 16 -2.249 -1.337 -10.302 1.00 0.00 N ATOM 227 CA VAL A 16 -2.427 0.093 -10.214 1.00 0.00 C ATOM 228 C VAL A 16 -1.259 0.712 -10.918 1.00 0.00 C ATOM 229 O VAL A 16 -0.241 0.029 -11.142 1.00 0.00 O ATOM 230 CB VAL A 16 -2.403 0.648 -8.762 1.00 0.00 C ATOM 231 CG1 VAL A 16 -3.417 1.729 -8.585 1.00 0.00 C ATOM 232 CG2 VAL A 16 -2.470 -0.411 -7.675 1.00 0.00 C ATOM 0 H VAL A 16 -1.298 -1.648 -10.106 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.402 0.327 -10.642 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.415 1.089 -8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.379 2.099 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.202 2.546 -9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.411 1.332 -8.791 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.448 0.070 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.394 -0.981 -7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.617 -1.083 -7.769 1.00 0.00 H new ATOM 242 N GLU A 17 -1.367 1.963 -11.268 1.00 0.00 N ATOM 243 CA GLU A 17 -0.276 2.650 -11.876 1.00 0.00 C ATOM 244 C GLU A 17 -0.370 4.132 -11.625 1.00 0.00 C ATOM 245 O GLU A 17 -1.291 4.796 -12.081 1.00 0.00 O ATOM 246 CB GLU A 17 -0.192 2.323 -13.350 1.00 0.00 C ATOM 247 CG GLU A 17 0.944 2.994 -14.088 1.00 0.00 C ATOM 248 CD GLU A 17 1.159 2.393 -15.448 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.253 2.476 -16.302 1.00 0.00 O ATOM 250 OE2 GLU A 17 2.221 1.803 -15.698 1.00 0.00 O ATOM 0 H GLU A 17 -2.208 2.526 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 17 0.651 2.307 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.091 1.243 -13.462 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.132 2.607 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.732 4.058 -14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.860 2.906 -13.503 1.00 0.00 H new ATOM 257 N ILE A 18 0.574 4.625 -10.887 1.00 0.00 N ATOM 258 CA ILE A 18 0.631 6.015 -10.542 1.00 0.00 C ATOM 259 C ILE A 18 1.574 6.724 -11.482 1.00 0.00 C ATOM 260 O ILE A 18 2.665 6.219 -11.779 1.00 0.00 O ATOM 261 CB ILE A 18 1.073 6.272 -9.044 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.076 6.087 -8.031 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.691 7.646 -8.866 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.545 4.676 -7.791 1.00 0.00 C ATOM 0 H ILE A 18 1.337 4.069 -10.501 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.380 6.410 -10.639 1.00 0.00 H new ATOM 0 HB ILE A 18 1.825 5.512 -8.834 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.241 6.507 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.928 6.676 -8.371 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.981 7.782 -7.824 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.572 7.734 -9.502 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.965 8.410 -9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.354 4.681 -7.060 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.904 4.248 -8.727 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.283 4.077 -7.412 1.00 0.00 H new ATOM 276 N HIS A 19 1.140 7.856 -11.963 1.00 0.00 N ATOM 277 CA HIS A 19 1.944 8.700 -12.808 1.00 0.00 C ATOM 278 C HIS A 19 2.417 9.894 -11.987 1.00 0.00 C ATOM 279 O HIS A 19 1.620 10.467 -11.230 1.00 0.00 O ATOM 280 CB HIS A 19 1.140 9.174 -14.039 1.00 0.00 C ATOM 281 CG HIS A 19 0.791 8.095 -15.036 1.00 0.00 C ATOM 282 ND1 HIS A 19 1.019 6.768 -14.998 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 0.132 8.325 -16.225 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 0.505 6.176 -16.149 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.018 7.160 -16.850 1.00 0.00 N flip ATOM 0 H HIS A 19 0.207 8.224 -11.778 1.00 0.00 H new ATOM 0 HA HIS A 19 2.802 8.137 -13.175 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.217 9.638 -13.693 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.713 9.947 -14.551 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.204 9.285 -16.587 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.530 5.129 -16.412 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -0.478 7.045 -17.753 1.00 0.00 H new ATOM 293 N LYS A 20 3.711 10.213 -12.111 1.00 0.00 N ATOM 294 CA LYS A 20 4.403 11.328 -11.396 1.00 0.00 C ATOM 295 C LYS A 20 3.534 12.540 -10.999 1.00 0.00 C ATOM 296 O LYS A 20 2.958 13.242 -11.852 1.00 0.00 O ATOM 297 CB LYS A 20 5.628 11.791 -12.197 1.00 0.00 C ATOM 298 CG LYS A 20 5.359 12.088 -13.676 1.00 0.00 C ATOM 299 CD LYS A 20 6.650 12.407 -14.411 1.00 0.00 C ATOM 300 CE LYS A 20 6.438 12.545 -15.904 1.00 0.00 C ATOM 301 NZ LYS A 20 7.726 12.571 -16.624 1.00 0.00 N ATOM 0 H LYS A 20 4.338 9.695 -12.727 1.00 0.00 H new ATOM 0 HA LYS A 20 4.696 10.890 -10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.031 12.689 -11.729 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.399 11.023 -12.130 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.874 11.229 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.670 12.928 -13.762 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.071 13.333 -14.018 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.379 11.619 -14.220 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.832 11.715 -16.267 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.883 13.460 -16.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.570 12.884 -17.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.376 13.230 -16.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.141 11.618 -16.627 1.00 0.00 H new ATOM 315 N LEU A 21 3.462 12.767 -9.696 1.00 0.00 N ATOM 316 CA LEU A 21 2.755 13.890 -9.118 1.00 0.00 C ATOM 317 C LEU A 21 3.722 14.713 -8.289 1.00 0.00 C ATOM 318 O LEU A 21 4.464 14.174 -7.463 1.00 0.00 O ATOM 319 CB LEU A 21 1.617 13.415 -8.200 1.00 0.00 C ATOM 320 CG LEU A 21 0.911 14.522 -7.392 1.00 0.00 C ATOM 321 CD1 LEU A 21 0.123 15.453 -8.296 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.025 13.946 -6.305 1.00 0.00 C ATOM 0 H LEU A 21 3.902 12.163 -9.002 1.00 0.00 H new ATOM 0 HA LEU A 21 2.334 14.482 -9.931 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.872 12.902 -8.809 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.019 12.680 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 21 1.691 15.108 -6.906 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.362 16.221 -7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.798 15.924 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.634 14.883 -8.834 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.455 14.758 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.738 13.312 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.630 13.354 -5.618 1.00 0.00 H new ATOM 334 N ARG A 22 3.734 15.989 -8.502 1.00 0.00 N ATOM 335 CA ARG A 22 4.552 16.843 -7.714 1.00 0.00 C ATOM 336 C ARG A 22 3.716 17.450 -6.630 1.00 0.00 C ATOM 337 O ARG A 22 2.636 18.003 -6.893 1.00 0.00 O ATOM 338 CB ARG A 22 5.200 17.937 -8.552 1.00 0.00 C ATOM 339 CG ARG A 22 6.126 17.412 -9.619 1.00 0.00 C ATOM 340 CD ARG A 22 6.821 18.534 -10.337 1.00 0.00 C ATOM 341 NE ARG A 22 7.746 18.038 -11.350 1.00 0.00 N ATOM 342 CZ ARG A 22 8.811 18.695 -11.807 1.00 0.00 C ATOM 343 NH1 ARG A 22 9.076 19.936 -11.384 1.00 0.00 N ATOM 344 NH2 ARG A 22 9.596 18.121 -12.706 1.00 0.00 N ATOM 0 H ARG A 22 3.183 16.461 -9.219 1.00 0.00 H new ATOM 0 HA ARG A 22 5.357 16.249 -7.281 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.418 18.533 -9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.758 18.604 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.867 16.751 -9.168 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.560 16.815 -10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.079 19.179 -10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.365 19.145 -9.616 1.00 0.00 H new ATOM 0 HE ARG A 22 7.563 17.113 -11.740 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.461 20.386 -10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.894 20.432 -11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.383 17.182 -13.044 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.413 18.618 -13.061 1.00 0.00 H new ATOM 358 N GLN A 23 4.166 17.334 -5.424 1.00 0.00 N ATOM 359 CA GLN A 23 3.482 17.919 -4.336 1.00 0.00 C ATOM 360 C GLN A 23 4.426 18.864 -3.684 1.00 0.00 C ATOM 361 O GLN A 23 5.271 18.449 -2.908 1.00 0.00 O ATOM 362 CB GLN A 23 3.001 16.877 -3.331 1.00 0.00 C ATOM 363 CG GLN A 23 1.974 15.882 -3.862 1.00 0.00 C ATOM 364 CD GLN A 23 1.311 15.060 -2.755 1.00 0.00 C ATOM 365 OE1 GLN A 23 0.933 13.904 -2.953 1.00 0.00 O ATOM 366 NE2 GLN A 23 1.128 15.655 -1.594 1.00 0.00 N ATOM 0 H GLN A 23 5.017 16.831 -5.173 1.00 0.00 H new ATOM 0 HA GLN A 23 2.590 18.431 -4.698 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.865 16.322 -2.967 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.571 17.395 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.206 16.422 -4.416 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.460 15.207 -4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.450 16.613 -1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.664 15.158 -0.834 1.00 0.00 H new ATOM 375 N GLY A 24 4.373 20.098 -4.090 1.00 0.00 N ATOM 376 CA GLY A 24 5.238 21.084 -3.525 1.00 0.00 C ATOM 377 C GLY A 24 6.625 20.956 -4.084 1.00 0.00 C ATOM 378 O GLY A 24 6.847 21.169 -5.279 1.00 0.00 O ATOM 0 H GLY A 24 3.739 20.443 -4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.847 22.080 -3.733 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.266 20.973 -2.441 1.00 0.00 H new ATOM 382 N GLU A 25 7.544 20.556 -3.252 1.00 0.00 N ATOM 383 CA GLU A 25 8.929 20.409 -3.649 1.00 0.00 C ATOM 384 C GLU A 25 9.310 18.937 -3.696 1.00 0.00 C ATOM 385 O GLU A 25 10.490 18.581 -3.736 1.00 0.00 O ATOM 386 CB GLU A 25 9.833 21.155 -2.671 1.00 0.00 C ATOM 387 CG GLU A 25 9.510 22.631 -2.544 1.00 0.00 C ATOM 388 CD GLU A 25 10.405 23.336 -1.574 1.00 0.00 C ATOM 389 OE1 GLU A 25 10.176 23.226 -0.352 1.00 0.00 O ATOM 390 OE2 GLU A 25 11.348 24.038 -2.015 1.00 0.00 O ATOM 0 H GLU A 25 7.361 20.321 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 25 9.057 20.834 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.753 20.689 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.869 21.045 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.597 23.103 -3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.474 22.746 -2.226 1.00 0.00 H new ATOM 397 N ASN A 26 8.319 18.081 -3.707 1.00 0.00 N ATOM 398 CA ASN A 26 8.572 16.653 -3.706 1.00 0.00 C ATOM 399 C ASN A 26 7.852 16.042 -4.860 1.00 0.00 C ATOM 400 O ASN A 26 6.920 16.636 -5.414 1.00 0.00 O ATOM 401 CB ASN A 26 8.035 15.963 -2.438 1.00 0.00 C ATOM 402 CG ASN A 26 8.030 16.835 -1.226 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.991 16.905 -0.462 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.940 17.500 -1.051 1.00 0.00 N ATOM 0 H ASN A 26 7.333 18.341 -3.717 1.00 0.00 H new ATOM 0 HA ASN A 26 9.652 16.517 -3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.019 15.617 -2.628 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.640 15.079 -2.234 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.845 18.121 -0.248 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.172 17.405 -1.716 1.00 0.00 H new ATOM 411 N LEU A 27 8.233 14.866 -5.173 1.00 0.00 N ATOM 412 CA LEU A 27 7.618 14.088 -6.207 1.00 0.00 C ATOM 413 C LEU A 27 7.072 12.892 -5.478 1.00 0.00 C ATOM 414 O LEU A 27 7.835 12.121 -4.902 1.00 0.00 O ATOM 415 CB LEU A 27 8.693 13.682 -7.256 1.00 0.00 C ATOM 416 CG LEU A 27 8.242 13.068 -8.617 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.514 11.737 -8.467 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.405 14.058 -9.403 1.00 0.00 C ATOM 0 H LEU A 27 9.007 14.390 -4.709 1.00 0.00 H new ATOM 0 HA LEU A 27 6.838 14.617 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.285 14.570 -7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.361 12.965 -6.779 1.00 0.00 H new ATOM 0 HG LEU A 27 9.154 12.854 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.228 11.366 -9.451 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.172 11.015 -7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.620 11.878 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.102 13.608 -10.348 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.519 14.323 -8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.992 14.955 -9.600 1.00 0.00 H new ATOM 430 N ILE A 28 5.775 12.779 -5.416 1.00 0.00 N ATOM 431 CA ILE A 28 5.185 11.727 -4.648 1.00 0.00 C ATOM 432 C ILE A 28 4.185 10.998 -5.502 1.00 0.00 C ATOM 433 O ILE A 28 3.715 11.520 -6.514 1.00 0.00 O ATOM 434 CB ILE A 28 4.443 12.277 -3.380 1.00 0.00 C ATOM 435 CG1 ILE A 28 5.057 13.613 -2.925 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.505 11.256 -2.244 1.00 0.00 C ATOM 437 CD1 ILE A 28 4.547 14.132 -1.601 1.00 0.00 C ATOM 0 H ILE A 28 5.114 13.398 -5.885 1.00 0.00 H new ATOM 0 HA ILE A 28 5.985 11.063 -4.321 1.00 0.00 H new ATOM 0 HB ILE A 28 3.399 12.449 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.139 13.495 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.864 14.364 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.986 11.651 -1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.027 10.329 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.546 11.058 -1.989 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.038 15.076 -1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.470 14.288 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.764 13.406 -0.818 1.00 0.00 H new ATOM 449 N LEU A 29 3.853 9.806 -5.100 1.00 0.00 N ATOM 450 CA LEU A 29 2.851 9.035 -5.786 1.00 0.00 C ATOM 451 C LEU A 29 1.470 9.389 -5.249 1.00 0.00 C ATOM 452 O LEU A 29 0.457 8.818 -5.655 1.00 0.00 O ATOM 453 CB LEU A 29 3.103 7.550 -5.591 1.00 0.00 C ATOM 454 CG LEU A 29 4.463 7.009 -6.008 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.482 5.515 -5.865 1.00 0.00 C ATOM 456 CD2 LEU A 29 4.871 7.438 -7.415 1.00 0.00 C ATOM 0 H LEU A 29 4.265 9.340 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 29 2.900 9.268 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.958 7.320 -4.535 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.339 7.003 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 29 5.206 7.443 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.458 5.133 -6.165 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.291 5.246 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.711 5.079 -6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.849 7.020 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.136 7.075 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.919 8.526 -7.464 1.00 0.00 H new ATOM 468 N GLY A 30 1.438 10.300 -4.304 1.00 0.00 N ATOM 469 CA GLY A 30 0.194 10.736 -3.747 1.00 0.00 C ATOM 470 C GLY A 30 -0.204 9.974 -2.494 1.00 0.00 C ATOM 471 O GLY A 30 -0.772 10.549 -1.572 1.00 0.00 O ATOM 0 H GLY A 30 2.264 10.750 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.262 11.798 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.590 10.625 -4.496 1.00 0.00 H new ATOM 475 N PHE A 31 0.062 8.684 -2.460 1.00 0.00 N ATOM 476 CA PHE A 31 -0.319 7.868 -1.331 1.00 0.00 C ATOM 477 C PHE A 31 0.831 7.685 -0.304 1.00 0.00 C ATOM 478 O PHE A 31 1.970 8.081 -0.544 1.00 0.00 O ATOM 479 CB PHE A 31 -0.868 6.519 -1.817 1.00 0.00 C ATOM 480 CG PHE A 31 0.125 5.616 -2.473 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.423 5.749 -3.805 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.731 4.615 -1.754 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.318 4.898 -4.413 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.623 3.760 -2.351 1.00 0.00 C ATOM 485 CZ PHE A 31 1.921 3.899 -3.685 1.00 0.00 C ATOM 0 H PHE A 31 0.542 8.179 -3.205 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.110 8.395 -0.797 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.301 5.995 -0.965 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.679 6.709 -2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.049 6.530 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.502 4.499 -0.705 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.547 5.015 -5.462 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.091 2.978 -1.772 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.623 3.229 -4.158 1.00 0.00 H new ATOM 495 N SER A 32 0.494 7.098 0.831 1.00 0.00 N ATOM 496 CA SER A 32 1.402 6.844 1.927 1.00 0.00 C ATOM 497 C SER A 32 1.278 5.379 2.384 1.00 0.00 C ATOM 498 O SER A 32 0.331 4.704 2.012 1.00 0.00 O ATOM 499 CB SER A 32 1.039 7.755 3.063 1.00 0.00 C ATOM 500 OG SER A 32 1.130 9.121 2.669 1.00 0.00 O ATOM 0 H SER A 32 -0.455 6.775 1.018 1.00 0.00 H new ATOM 0 HA SER A 32 2.428 7.026 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.026 7.536 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.703 7.571 3.908 1.00 0.00 H new ATOM 0 HG SER A 32 0.887 9.696 3.424 1.00 0.00 H new ATOM 506 N ILE A 33 2.193 4.916 3.241 1.00 0.00 N ATOM 507 CA ILE A 33 2.244 3.501 3.610 1.00 0.00 C ATOM 508 C ILE A 33 2.259 3.341 5.120 1.00 0.00 C ATOM 509 O ILE A 33 2.560 4.298 5.842 1.00 0.00 O ATOM 510 CB ILE A 33 3.514 2.797 3.041 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.756 3.092 3.893 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.755 3.243 1.625 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.022 2.404 3.434 1.00 0.00 C ATOM 0 H ILE A 33 2.903 5.496 3.688 1.00 0.00 H new ATOM 0 HA ILE A 33 1.354 3.038 3.184 1.00 0.00 H new ATOM 0 HB ILE A 33 3.337 1.722 3.066 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.927 4.169 3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.551 2.796 4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.644 2.747 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.894 2.983 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.903 4.323 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.844 2.674 4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.877 1.324 3.456 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.259 2.718 2.417 1.00 0.00 H new ATOM 525 N GLY A 34 2.003 2.128 5.586 1.00 0.00 N ATOM 526 CA GLY A 34 1.991 1.862 7.001 1.00 0.00 C ATOM 527 C GLY A 34 3.189 1.075 7.401 1.00 0.00 C ATOM 528 O GLY A 34 3.725 1.237 8.485 1.00 0.00 O ATOM 0 H GLY A 34 1.802 1.318 4.999 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.967 2.802 7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.086 1.315 7.265 1.00 0.00 H new ATOM 532 N GLY A 35 3.653 0.255 6.506 1.00 0.00 N ATOM 533 CA GLY A 35 4.820 -0.513 6.797 1.00 0.00 C ATOM 534 C GLY A 35 4.611 -1.976 6.643 1.00 0.00 C ATOM 535 O GLY A 35 3.515 -2.445 6.769 1.00 0.00 O ATOM 0 H GLY A 35 3.247 0.104 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.629 -0.197 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.140 -0.304 7.818 1.00 0.00 H new ATOM 539 N GLY A 36 5.689 -2.680 6.385 1.00 0.00 N ATOM 540 CA GLY A 36 5.626 -4.087 6.173 1.00 0.00 C ATOM 541 C GLY A 36 6.068 -4.873 7.363 1.00 0.00 C ATOM 542 O GLY A 36 5.528 -4.719 8.433 1.00 0.00 O ATOM 0 H GLY A 36 6.627 -2.284 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.603 -4.366 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.250 -4.349 5.318 1.00 0.00 H new ATOM 546 N ILE A 37 7.110 -5.658 7.184 1.00 0.00 N ATOM 547 CA ILE A 37 7.592 -6.593 8.225 1.00 0.00 C ATOM 548 C ILE A 37 8.148 -5.889 9.439 1.00 0.00 C ATOM 549 O ILE A 37 8.204 -6.454 10.518 1.00 0.00 O ATOM 550 CB ILE A 37 8.658 -7.608 7.716 1.00 0.00 C ATOM 551 CG1 ILE A 37 10.043 -6.934 7.462 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.162 -8.314 6.465 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.080 -5.905 6.378 1.00 0.00 C ATOM 0 H ILE A 37 7.657 -5.679 6.323 1.00 0.00 H new ATOM 0 HA ILE A 37 6.694 -7.144 8.504 1.00 0.00 H new ATOM 0 HB ILE A 37 8.806 -8.347 8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.374 -6.468 8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.766 -7.713 7.221 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.918 -9.020 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.241 -8.851 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.971 -7.578 5.684 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.090 -5.505 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.787 -6.362 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.390 -5.097 6.620 1.00 0.00 H new ATOM 565 N ASP A 38 8.553 -4.659 9.241 1.00 0.00 N ATOM 566 CA ASP A 38 9.127 -3.859 10.303 1.00 0.00 C ATOM 567 C ASP A 38 8.048 -3.468 11.309 1.00 0.00 C ATOM 568 O ASP A 38 8.323 -3.136 12.452 1.00 0.00 O ATOM 569 CB ASP A 38 9.789 -2.631 9.693 1.00 0.00 C ATOM 570 CG ASP A 38 10.437 -1.722 10.709 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.505 -2.057 11.222 1.00 0.00 O ATOM 572 OD2 ASP A 38 9.894 -0.640 10.969 1.00 0.00 O ATOM 0 H ASP A 38 8.496 -4.181 8.342 1.00 0.00 H new ATOM 0 HA ASP A 38 9.882 -4.435 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.543 -2.955 8.975 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.042 -2.065 9.137 1.00 0.00 H new ATOM 577 N GLN A 39 6.814 -3.576 10.880 1.00 0.00 N ATOM 578 CA GLN A 39 5.679 -3.221 11.707 1.00 0.00 C ATOM 579 C GLN A 39 5.031 -4.530 12.151 1.00 0.00 C ATOM 580 O GLN A 39 5.021 -5.502 11.388 1.00 0.00 O ATOM 581 CB GLN A 39 4.660 -2.404 10.899 1.00 0.00 C ATOM 582 CG GLN A 39 5.245 -1.627 9.785 1.00 0.00 C ATOM 583 CD GLN A 39 6.295 -0.646 10.213 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.316 -0.573 9.428 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 6.234 -0.053 11.278 1.00 0.00 N flip ATOM 0 H GLN A 39 6.565 -3.912 9.950 1.00 0.00 H new ATOM 0 HA GLN A 39 6.000 -2.619 12.557 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.907 -3.081 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.146 -1.719 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.680 -2.318 9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.447 -1.090 9.272 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.404 -0.142 11.865 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.013 0.532 11.581 1.00 0.00 H new ATOM 594 N ASP A 40 4.475 -4.559 13.324 1.00 0.00 N ATOM 595 CA ASP A 40 3.918 -5.802 13.867 1.00 0.00 C ATOM 596 C ASP A 40 2.445 -5.880 13.555 1.00 0.00 C ATOM 597 O ASP A 40 1.705 -4.971 13.911 1.00 0.00 O ATOM 598 CB ASP A 40 4.063 -5.865 15.371 1.00 0.00 C ATOM 599 CG ASP A 40 4.043 -7.283 15.880 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.951 -7.820 16.171 1.00 0.00 O ATOM 601 OD2 ASP A 40 5.120 -7.887 16.007 1.00 0.00 O ATOM 0 H ASP A 40 4.386 -3.749 13.937 1.00 0.00 H new ATOM 0 HA ASP A 40 4.466 -6.627 13.411 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.997 -5.387 15.666 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.255 -5.301 15.837 1.00 0.00 H new ATOM 606 N PRO A 41 1.975 -6.985 12.946 1.00 0.00 N ATOM 607 CA PRO A 41 0.568 -7.140 12.513 1.00 0.00 C ATOM 608 C PRO A 41 -0.438 -6.983 13.655 1.00 0.00 C ATOM 609 O PRO A 41 -1.595 -6.647 13.432 1.00 0.00 O ATOM 610 CB PRO A 41 0.515 -8.565 11.947 1.00 0.00 C ATOM 611 CG PRO A 41 1.719 -9.244 12.499 1.00 0.00 C ATOM 612 CD PRO A 41 2.762 -8.184 12.634 1.00 0.00 C ATOM 0 HA PRO A 41 0.291 -6.367 11.796 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.399 -9.076 12.249 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.531 -8.558 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.501 -9.702 13.464 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.056 -10.041 11.836 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.474 -8.417 13.426 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.336 -8.063 11.715 1.00 0.00 H new ATOM 620 N SER A 42 0.037 -7.163 14.873 1.00 0.00 N ATOM 621 CA SER A 42 -0.792 -7.082 16.055 1.00 0.00 C ATOM 622 C SER A 42 -1.093 -5.611 16.412 1.00 0.00 C ATOM 623 O SER A 42 -1.993 -5.318 17.186 1.00 0.00 O ATOM 624 CB SER A 42 -0.041 -7.733 17.196 1.00 0.00 C ATOM 625 OG SER A 42 0.595 -8.928 16.753 1.00 0.00 O ATOM 0 H SER A 42 1.016 -7.371 15.069 1.00 0.00 H new ATOM 0 HA SER A 42 -1.740 -7.588 15.873 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.704 -7.042 17.591 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.729 -7.960 18.010 1.00 0.00 H new ATOM 0 HG SER A 42 1.537 -8.743 16.555 1.00 0.00 H new ATOM 631 N GLN A 43 -0.324 -4.703 15.839 1.00 0.00 N ATOM 632 CA GLN A 43 -0.459 -3.286 16.123 1.00 0.00 C ATOM 633 C GLN A 43 -0.490 -2.503 14.833 1.00 0.00 C ATOM 634 O GLN A 43 -0.235 -1.284 14.795 1.00 0.00 O ATOM 635 CB GLN A 43 0.690 -2.850 17.014 1.00 0.00 C ATOM 636 CG GLN A 43 2.062 -3.081 16.454 1.00 0.00 C ATOM 637 CD GLN A 43 3.016 -3.546 17.511 1.00 0.00 C ATOM 638 OE1 GLN A 43 2.550 -4.417 18.363 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 4.196 -3.217 17.480 1.00 0.00 N flip ATOM 0 H GLN A 43 0.409 -4.926 15.166 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.396 -3.094 16.646 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.578 -1.787 17.229 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.611 -3.377 17.965 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.011 -3.823 15.657 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.434 -2.159 16.007 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.517 -2.532 16.796 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.858 -3.629 18.138 1.00 0.00 H new ATOM 648 N ASN A 44 -0.797 -3.206 13.787 1.00 0.00 N ATOM 649 CA ASN A 44 -0.919 -2.622 12.478 1.00 0.00 C ATOM 650 C ASN A 44 -2.359 -2.482 12.079 1.00 0.00 C ATOM 651 O ASN A 44 -3.172 -3.350 12.376 1.00 0.00 O ATOM 652 CB ASN A 44 -0.236 -3.450 11.436 1.00 0.00 C ATOM 653 CG ASN A 44 1.259 -3.369 11.444 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.833 -2.396 11.922 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.903 -4.351 10.833 1.00 0.00 N ATOM 0 H ASN A 44 -0.972 -4.210 13.813 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.446 -1.642 12.537 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.529 -4.491 11.571 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.596 -3.142 10.455 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.919 -4.318 10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.384 -5.141 10.450 1.00 0.00 H new ATOM 662 N PRO A 45 -2.687 -1.410 11.361 1.00 0.00 N ATOM 663 CA PRO A 45 -4.057 -1.140 10.925 1.00 0.00 C ATOM 664 C PRO A 45 -4.542 -2.071 9.799 1.00 0.00 C ATOM 665 O PRO A 45 -5.574 -2.708 9.908 1.00 0.00 O ATOM 666 CB PRO A 45 -3.976 0.300 10.425 1.00 0.00 C ATOM 667 CG PRO A 45 -2.558 0.489 10.007 1.00 0.00 C ATOM 668 CD PRO A 45 -1.749 -0.331 10.947 1.00 0.00 C ATOM 0 HA PRO A 45 -4.772 -1.303 11.731 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.658 0.466 9.591 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.253 1.005 11.209 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.407 0.167 8.977 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.272 1.539 10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -0.860 -0.736 10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.409 0.255 11.801 1.00 0.00 H new ATOM 676 N PHE A 46 -3.770 -2.176 8.738 1.00 0.00 N ATOM 677 CA PHE A 46 -4.206 -2.924 7.564 1.00 0.00 C ATOM 678 C PHE A 46 -3.369 -4.177 7.387 1.00 0.00 C ATOM 679 O PHE A 46 -3.280 -4.736 6.299 1.00 0.00 O ATOM 680 CB PHE A 46 -4.113 -2.031 6.317 1.00 0.00 C ATOM 681 CG PHE A 46 -4.830 -0.709 6.463 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.203 -0.616 6.295 1.00 0.00 C ATOM 683 CD2 PHE A 46 -4.122 0.439 6.780 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.851 0.600 6.439 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.763 1.648 6.927 1.00 0.00 C ATOM 686 CZ PHE A 46 -6.125 1.731 6.757 1.00 0.00 C ATOM 0 H PHE A 46 -2.843 -1.758 8.658 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.243 -3.229 7.704 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.063 -1.842 6.093 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.529 -2.568 5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.773 -1.500 6.050 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -3.052 0.384 6.914 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.921 0.663 6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.196 2.533 7.176 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.627 2.680 6.872 1.00 0.00 H new ATOM 696 N SER A 47 -2.775 -4.616 8.462 1.00 0.00 N ATOM 697 CA SER A 47 -1.943 -5.817 8.437 1.00 0.00 C ATOM 698 C SER A 47 -2.563 -6.856 9.351 1.00 0.00 C ATOM 699 O SER A 47 -2.063 -7.966 9.484 1.00 0.00 O ATOM 700 CB SER A 47 -0.577 -5.456 8.974 1.00 0.00 C ATOM 701 OG SER A 47 0.428 -6.420 8.724 1.00 0.00 O ATOM 0 H SER A 47 -2.844 -4.168 9.376 1.00 0.00 H new ATOM 0 HA SER A 47 -1.865 -6.208 7.422 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.268 -4.507 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.654 -5.301 10.050 1.00 0.00 H new ATOM 0 HG SER A 47 0.061 -7.318 8.861 1.00 0.00 H new ATOM 782 N LYS A 53 1.981 -9.329 7.058 1.00 0.00 N ATOM 783 CA LYS A 53 2.669 -8.063 6.912 1.00 0.00 C ATOM 784 C LYS A 53 2.667 -7.596 5.440 1.00 0.00 C ATOM 785 O LYS A 53 1.830 -8.025 4.635 1.00 0.00 O ATOM 786 CB LYS A 53 4.104 -8.254 7.438 1.00 0.00 C ATOM 787 CG LYS A 53 4.169 -8.460 8.950 1.00 0.00 C ATOM 788 CD LYS A 53 5.452 -9.163 9.394 1.00 0.00 C ATOM 789 CE LYS A 53 5.677 -8.996 10.886 1.00 0.00 C ATOM 790 NZ LYS A 53 6.930 -9.618 11.353 1.00 0.00 N ATOM 0 HA LYS A 53 2.160 -7.286 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.555 -9.113 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.701 -7.382 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.098 -7.493 9.448 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.308 -9.047 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.393 -10.223 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.302 -8.755 8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.693 -7.933 11.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.837 -9.434 11.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.029 -9.472 12.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.908 -10.638 11.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.737 -9.184 10.862 1.00 0.00 H new ATOM 804 N GLY A 54 3.568 -6.714 5.112 1.00 0.00 N ATOM 805 CA GLY A 54 3.666 -6.200 3.772 1.00 0.00 C ATOM 806 C GLY A 54 3.389 -4.735 3.790 1.00 0.00 C ATOM 807 O GLY A 54 2.792 -4.258 4.716 1.00 0.00 O ATOM 0 H GLY A 54 4.254 -6.331 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.661 -6.390 3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.955 -6.709 3.121 1.00 0.00 H new ATOM 811 N ILE A 55 3.866 -4.021 2.829 1.00 0.00 N ATOM 812 CA ILE A 55 3.643 -2.610 2.756 1.00 0.00 C ATOM 813 C ILE A 55 2.252 -2.363 2.235 1.00 0.00 C ATOM 814 O ILE A 55 1.862 -2.897 1.218 1.00 0.00 O ATOM 815 CB ILE A 55 4.696 -1.899 1.852 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.105 -2.087 2.430 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.367 -0.410 1.709 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.348 -1.358 3.718 1.00 0.00 C ATOM 0 H ILE A 55 4.426 -4.398 2.064 1.00 0.00 H new ATOM 0 HA ILE A 55 3.749 -2.191 3.757 1.00 0.00 H new ATOM 0 HB ILE A 55 4.664 -2.351 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.280 -3.151 2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.835 -1.751 1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.113 0.068 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.381 -0.297 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.372 0.060 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.367 -1.546 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.208 -0.288 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.645 -1.710 4.473 1.00 0.00 H new ATOM 830 N TYR A 56 1.511 -1.602 2.958 1.00 0.00 N ATOM 831 CA TYR A 56 0.178 -1.253 2.586 1.00 0.00 C ATOM 832 C TYR A 56 0.004 0.203 2.668 1.00 0.00 C ATOM 833 O TYR A 56 0.776 0.890 3.352 1.00 0.00 O ATOM 834 CB TYR A 56 -0.855 -1.962 3.449 1.00 0.00 C ATOM 835 CG TYR A 56 -0.449 -2.016 4.874 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.640 -0.953 5.732 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.179 -3.126 5.342 1.00 0.00 C ATOM 838 CE1 TYR A 56 -0.219 -1.021 7.025 1.00 0.00 C ATOM 839 CE2 TYR A 56 0.608 -3.213 6.611 1.00 0.00 C ATOM 840 CZ TYR A 56 0.405 -2.152 7.464 1.00 0.00 C ATOM 841 OH TYR A 56 0.832 -2.215 8.738 1.00 0.00 O ATOM 0 H TYR A 56 1.815 -1.194 3.842 1.00 0.00 H new ATOM 0 HA TYR A 56 0.019 -1.580 1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.812 -1.447 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.004 -2.975 3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.128 -0.058 5.375 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.337 -3.961 4.675 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -0.377 -0.189 7.695 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.107 -4.106 6.959 1.00 0.00 H new ATOM 0 HH TYR A 56 0.839 -1.315 9.126 1.00 0.00 H new ATOM 851 N VAL A 57 -0.979 0.664 1.997 1.00 0.00 N ATOM 852 CA VAL A 57 -1.281 2.043 1.935 1.00 0.00 C ATOM 853 C VAL A 57 -2.183 2.451 3.081 1.00 0.00 C ATOM 854 O VAL A 57 -3.213 1.813 3.334 1.00 0.00 O ATOM 855 CB VAL A 57 -1.945 2.377 0.601 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.263 3.824 0.512 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.056 1.968 -0.534 1.00 0.00 C ATOM 0 H VAL A 57 -1.616 0.077 1.459 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.348 2.600 2.018 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.881 1.821 0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.735 4.034 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.943 4.097 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.345 4.404 0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.539 2.211 -1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.108 2.501 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.874 0.895 -0.485 1.00 0.00 H new ATOM 867 N THR A 58 -1.780 3.479 3.780 1.00 0.00 N ATOM 868 CA THR A 58 -2.537 4.004 4.881 1.00 0.00 C ATOM 869 C THR A 58 -3.243 5.310 4.503 1.00 0.00 C ATOM 870 O THR A 58 -4.206 5.720 5.145 1.00 0.00 O ATOM 871 CB THR A 58 -1.602 4.229 6.058 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.415 4.872 5.573 1.00 0.00 O ATOM 873 CG2 THR A 58 -1.249 2.910 6.720 1.00 0.00 C ATOM 0 H THR A 58 -0.909 3.978 3.598 1.00 0.00 H new ATOM 0 HA THR A 58 -3.310 3.284 5.152 1.00 0.00 H new ATOM 0 HB THR A 58 -2.092 4.856 6.803 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.201 5.027 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.579 3.092 7.560 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.158 2.428 7.079 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.756 2.261 5.997 1.00 0.00 H new ATOM 881 N ARG A 59 -2.758 5.958 3.466 1.00 0.00 N ATOM 882 CA ARG A 59 -3.330 7.204 2.991 1.00 0.00 C ATOM 883 C ARG A 59 -3.183 7.236 1.498 1.00 0.00 C ATOM 884 O ARG A 59 -2.146 6.890 1.004 1.00 0.00 O ATOM 885 CB ARG A 59 -2.548 8.378 3.575 1.00 0.00 C ATOM 886 CG ARG A 59 -3.356 9.363 4.415 1.00 0.00 C ATOM 887 CD ARG A 59 -4.352 10.154 3.575 1.00 0.00 C ATOM 888 NE ARG A 59 -3.683 10.978 2.549 1.00 0.00 N ATOM 889 CZ ARG A 59 -4.269 11.953 1.828 1.00 0.00 C ATOM 890 NH1 ARG A 59 -5.539 12.302 2.055 1.00 0.00 N ATOM 891 NH2 ARG A 59 -3.573 12.590 0.897 1.00 0.00 N ATOM 0 H ARG A 59 -1.954 5.637 2.926 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.376 7.275 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.741 7.982 4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -2.084 8.925 2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.891 8.820 5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.677 10.053 4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.045 9.465 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.944 10.797 4.226 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.696 10.794 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.076 11.828 2.781 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.971 13.042 1.502 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.598 12.341 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.012 13.329 0.348 1.00 0.00 H new ATOM 905 N VAL A 60 -4.197 7.630 0.794 1.00 0.00 N ATOM 906 CA VAL A 60 -4.122 7.757 -0.643 1.00 0.00 C ATOM 907 C VAL A 60 -4.494 9.157 -0.973 1.00 0.00 C ATOM 908 O VAL A 60 -5.270 9.768 -0.230 1.00 0.00 O ATOM 909 CB VAL A 60 -5.065 6.750 -1.429 1.00 0.00 C ATOM 910 CG1 VAL A 60 -5.121 7.044 -2.900 1.00 0.00 C ATOM 911 CG2 VAL A 60 -4.616 5.348 -1.232 1.00 0.00 C ATOM 0 H VAL A 60 -5.104 7.875 1.191 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.108 7.508 -0.957 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.066 6.883 -1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.779 6.326 -3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.504 8.053 -3.055 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.120 6.967 -3.325 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.276 4.674 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.597 5.237 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.646 5.102 -0.170 1.00 0.00 H new ATOM 921 N SER A 61 -3.913 9.680 -2.028 1.00 0.00 N ATOM 922 CA SER A 61 -4.233 10.945 -2.538 1.00 0.00 C ATOM 923 C SER A 61 -5.735 11.020 -2.736 1.00 0.00 C ATOM 924 O SER A 61 -6.320 10.127 -3.327 1.00 0.00 O ATOM 925 CB SER A 61 -3.539 11.047 -3.874 1.00 0.00 C ATOM 926 OG SER A 61 -3.894 9.932 -4.679 1.00 0.00 O ATOM 0 H SER A 61 -3.183 9.201 -2.555 1.00 0.00 H new ATOM 0 HA SER A 61 -3.924 11.750 -1.871 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.822 11.974 -4.373 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.459 11.078 -3.733 1.00 0.00 H new ATOM 0 HG SER A 61 -4.773 9.598 -4.405 1.00 0.00 H new ATOM 932 N GLU A 62 -6.330 12.004 -2.182 1.00 0.00 N ATOM 933 CA GLU A 62 -7.744 12.251 -2.336 1.00 0.00 C ATOM 934 C GLU A 62 -8.033 12.735 -3.747 1.00 0.00 C ATOM 935 O GLU A 62 -9.111 12.517 -4.294 1.00 0.00 O ATOM 936 CB GLU A 62 -8.205 13.303 -1.335 1.00 0.00 C ATOM 937 CG GLU A 62 -7.348 14.569 -1.325 1.00 0.00 C ATOM 938 CD GLU A 62 -6.161 14.458 -0.401 1.00 0.00 C ATOM 939 OE1 GLU A 62 -5.111 13.968 -0.824 1.00 0.00 O ATOM 940 OE2 GLU A 62 -6.278 14.814 0.779 1.00 0.00 O ATOM 0 H GLU A 62 -5.854 12.686 -1.592 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.284 11.322 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.236 13.576 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.201 12.866 -0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.998 14.775 -2.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.962 15.417 -1.021 1.00 0.00 H new ATOM 947 N GLY A 63 -7.051 13.366 -4.317 1.00 0.00 N ATOM 948 CA GLY A 63 -7.166 13.916 -5.632 1.00 0.00 C ATOM 949 C GLY A 63 -5.842 13.886 -6.334 1.00 0.00 C ATOM 950 O GLY A 63 -5.321 14.930 -6.759 1.00 0.00 O ATOM 0 H GLY A 63 -6.142 13.514 -3.879 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.901 13.351 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.529 14.942 -5.572 1.00 0.00 H new ATOM 954 N GLY A 64 -5.279 12.714 -6.408 1.00 0.00 N ATOM 955 CA GLY A 64 -4.026 12.526 -7.062 1.00 0.00 C ATOM 956 C GLY A 64 -4.015 11.246 -7.880 1.00 0.00 C ATOM 957 O GLY A 64 -5.043 10.571 -7.980 1.00 0.00 O ATOM 0 H GLY A 64 -5.681 11.863 -6.014 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.822 13.377 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.228 12.493 -6.320 1.00 0.00 H new ATOM 961 N PRO A 65 -2.843 10.831 -8.370 1.00 0.00 N ATOM 962 CA PRO A 65 -2.704 9.711 -9.317 1.00 0.00 C ATOM 963 C PRO A 65 -3.097 8.379 -8.720 1.00 0.00 C ATOM 964 O PRO A 65 -3.573 7.493 -9.418 1.00 0.00 O ATOM 965 CB PRO A 65 -1.214 9.697 -9.635 1.00 0.00 C ATOM 966 CG PRO A 65 -0.574 10.364 -8.467 1.00 0.00 C ATOM 967 CD PRO A 65 -1.549 11.397 -8.009 1.00 0.00 C ATOM 0 HA PRO A 65 -3.354 9.847 -10.181 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.845 8.679 -9.761 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.001 10.230 -10.562 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.362 9.647 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.376 10.819 -8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.473 11.572 -6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.379 12.355 -8.501 1.00 0.00 H new ATOM 975 N ALA A 66 -2.894 8.249 -7.431 1.00 0.00 N ATOM 976 CA ALA A 66 -3.197 7.037 -6.725 1.00 0.00 C ATOM 977 C ALA A 66 -4.687 6.720 -6.802 1.00 0.00 C ATOM 978 O ALA A 66 -5.066 5.643 -7.267 1.00 0.00 O ATOM 979 CB ALA A 66 -2.693 7.136 -5.304 1.00 0.00 C ATOM 0 H ALA A 66 -2.511 8.989 -6.842 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.683 6.201 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.925 6.214 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.614 7.290 -5.311 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.176 7.975 -4.804 1.00 0.00 H new ATOM 985 N GLU A 67 -5.526 7.672 -6.416 1.00 0.00 N ATOM 986 CA GLU A 67 -6.970 7.482 -6.489 1.00 0.00 C ATOM 987 C GLU A 67 -7.454 7.459 -7.939 1.00 0.00 C ATOM 988 O GLU A 67 -8.428 6.782 -8.262 1.00 0.00 O ATOM 989 CB GLU A 67 -7.707 8.527 -5.641 1.00 0.00 C ATOM 990 CG GLU A 67 -7.544 9.986 -6.079 1.00 0.00 C ATOM 991 CD GLU A 67 -8.687 10.493 -6.925 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.831 9.994 -6.758 1.00 0.00 O ATOM 993 OE2 GLU A 67 -8.487 11.433 -7.722 1.00 0.00 O ATOM 0 H GLU A 67 -5.235 8.579 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.207 6.506 -6.065 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.770 8.284 -5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.363 8.437 -4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.452 10.615 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.615 10.087 -6.640 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.758 8.188 -8.803 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.058 8.189 -10.223 1.00 0.00 C ATOM 1002 C ILE A 68 -6.865 6.789 -10.817 1.00 0.00 C ATOM 1003 O ILE A 68 -7.721 6.293 -11.561 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.190 9.242 -10.988 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -6.644 10.670 -10.661 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.170 9.009 -12.497 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.078 10.979 -11.065 1.00 0.00 C ATOM 0 H ILE A 68 -5.977 8.789 -8.539 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.104 8.473 -10.343 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.166 9.113 -10.638 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.537 10.836 -9.589 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.978 11.374 -11.161 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.552 9.770 -12.974 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.758 8.022 -12.707 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.186 9.068 -12.888 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.317 12.008 -10.798 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.189 10.848 -12.141 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.756 10.302 -10.545 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.766 6.155 -10.462 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.445 4.829 -10.953 1.00 0.00 C ATOM 1021 C ALA A 69 -6.342 3.774 -10.323 1.00 0.00 C ATOM 1022 O ALA A 69 -6.885 2.922 -11.018 1.00 0.00 O ATOM 1023 CB ALA A 69 -3.998 4.518 -10.683 1.00 0.00 C ATOM 0 H ALA A 69 -5.070 6.544 -9.825 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.619 4.812 -12.029 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.765 3.520 -11.055 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.368 5.250 -11.188 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.811 4.558 -9.610 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.478 3.824 -9.016 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.343 2.883 -8.335 1.00 0.00 C ATOM 1031 C GLY A 70 -6.756 2.368 -7.043 1.00 0.00 C ATOM 1032 O GLY A 70 -7.130 1.302 -6.564 1.00 0.00 O ATOM 0 H GLY A 70 -6.008 4.496 -8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.299 3.363 -8.127 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.546 2.041 -8.996 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.823 3.111 -6.493 1.00 0.00 N ATOM 1037 CA LEU A 71 -5.196 2.762 -5.248 1.00 0.00 C ATOM 1038 C LEU A 71 -6.054 3.216 -4.105 1.00 0.00 C ATOM 1039 O LEU A 71 -6.448 4.379 -4.045 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.790 3.378 -5.189 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.939 3.142 -3.941 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -3.178 1.738 -3.395 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.520 3.175 -4.382 1.00 0.00 C ATOM 0 H LEU A 71 -5.479 3.979 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.089 1.680 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.230 3.006 -6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.895 4.455 -5.319 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.181 3.888 -3.184 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.566 1.584 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.230 1.623 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.909 1.002 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.868 3.011 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.350 2.392 -5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.299 4.146 -4.825 1.00 0.00 H new ATOM 1055 N GLN A 72 -6.379 2.295 -3.236 1.00 0.00 N ATOM 1056 CA GLN A 72 -7.196 2.566 -2.097 1.00 0.00 C ATOM 1057 C GLN A 72 -6.402 2.322 -0.833 1.00 0.00 C ATOM 1058 O GLN A 72 -5.374 1.644 -0.835 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.436 1.658 -2.100 1.00 0.00 C ATOM 1060 CG GLN A 72 -9.266 1.752 -3.364 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.916 3.101 -3.555 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -9.183 4.025 -4.088 1.00 0.00 O flip ATOM 1063 NE2 GLN A 72 -11.060 3.313 -3.141 1.00 0.00 N flip ATOM 0 H GLN A 72 -6.076 1.324 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.517 3.607 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.117 0.625 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.063 1.914 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.631 1.538 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -10.039 0.984 -3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.602 2.554 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.463 4.247 -3.212 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.837 2.923 0.207 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.272 2.688 1.516 1.00 0.00 C ATOM 1074 C ILE A 73 -6.600 1.250 1.949 1.00 0.00 C ATOM 1075 O ILE A 73 -7.724 0.784 1.760 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.831 3.700 2.546 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.466 5.124 2.131 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.299 3.408 3.934 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -7.000 6.186 3.054 1.00 0.00 C ATOM 0 H ILE A 73 -7.600 3.600 0.194 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.191 2.822 1.470 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.916 3.602 2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.381 5.211 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.845 5.307 1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.706 4.132 4.640 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.596 2.403 4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.211 3.478 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.698 7.169 2.691 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.088 6.129 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.601 6.031 4.056 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.618 0.546 2.482 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.830 -0.829 2.894 1.00 0.00 C ATOM 1093 C GLY A 74 -5.268 -1.796 1.887 1.00 0.00 C ATOM 1094 O GLY A 74 -5.161 -3.009 2.145 1.00 0.00 O ATOM 0 H GLY A 74 -4.674 0.900 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.360 -0.997 3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.897 -1.012 3.021 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.902 -1.265 0.740 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.318 -2.054 -0.315 1.00 0.00 C ATOM 1100 C ASP A 75 -2.896 -2.381 0.048 1.00 0.00 C ATOM 1101 O ASP A 75 -2.059 -1.472 0.210 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.348 -1.312 -1.676 1.00 0.00 C ATOM 1103 CG ASP A 75 -5.738 -1.112 -2.262 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.702 -1.678 -1.737 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -5.884 -0.394 -3.286 1.00 0.00 O ATOM 0 H ASP A 75 -5.002 -0.275 0.516 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.906 -2.966 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.877 -0.337 -1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.744 -1.870 -2.392 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.617 -3.652 0.255 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.271 -4.054 0.535 1.00 0.00 C ATOM 1112 C LYS A 76 -0.575 -4.407 -0.751 1.00 0.00 C ATOM 1113 O LYS A 76 -1.036 -5.280 -1.523 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.166 -5.152 1.616 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.889 -6.453 1.331 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.693 -7.449 2.472 1.00 0.00 C ATOM 1117 CE LYS A 76 -2.327 -6.963 3.767 1.00 0.00 C ATOM 1118 NZ LYS A 76 -2.092 -7.890 4.883 1.00 0.00 N ATOM 0 H LYS A 76 -3.300 -4.409 0.233 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.750 -3.207 0.981 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.111 -5.376 1.774 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.549 -4.747 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.952 -6.259 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.518 -6.883 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.127 -8.409 2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.627 -7.615 2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.924 -5.982 4.021 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.400 -6.839 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.542 -7.518 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.499 -8.819 4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.069 -7.989 5.042 1.00 0.00 H new ATOM 1132 N ILE A 77 0.503 -3.729 -0.995 1.00 0.00 N ATOM 1133 CA ILE A 77 1.197 -3.821 -2.232 1.00 0.00 C ATOM 1134 C ILE A 77 2.174 -4.981 -2.171 1.00 0.00 C ATOM 1135 O ILE A 77 2.892 -5.135 -1.196 1.00 0.00 O ATOM 1136 CB ILE A 77 1.999 -2.525 -2.589 1.00 0.00 C ATOM 1137 CG1 ILE A 77 1.223 -1.203 -2.354 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.420 -2.590 -4.026 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.306 -0.661 -0.941 1.00 0.00 C ATOM 0 H ILE A 77 0.929 -3.087 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 77 0.441 -3.966 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 77 2.854 -2.503 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.604 -0.447 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.175 -1.364 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.979 -1.690 -4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.050 -3.466 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.537 -2.661 -4.661 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.734 0.264 -0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.896 -1.394 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.348 -0.463 -0.688 1.00 0.00 H new ATOM 1151 N MET A 78 2.197 -5.787 -3.208 1.00 0.00 N ATOM 1152 CA MET A 78 3.098 -6.915 -3.257 1.00 0.00 C ATOM 1153 C MET A 78 4.124 -6.743 -4.373 1.00 0.00 C ATOM 1154 O MET A 78 5.173 -7.393 -4.392 1.00 0.00 O ATOM 1155 CB MET A 78 2.308 -8.228 -3.391 1.00 0.00 C ATOM 1156 CG MET A 78 1.424 -8.493 -2.179 1.00 0.00 C ATOM 1157 SD MET A 78 2.401 -8.643 -0.670 1.00 0.00 S ATOM 1158 CE MET A 78 1.162 -8.517 0.595 1.00 0.00 C ATOM 0 H MET A 78 1.601 -5.682 -4.029 1.00 0.00 H new ATOM 0 HA MET A 78 3.653 -6.963 -2.320 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.690 -8.188 -4.288 1.00 0.00 H new ATOM 0 HB3 MET A 78 3.004 -9.057 -3.520 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.704 -7.683 -2.068 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.853 -9.408 -2.337 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.620 -8.683 1.570 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.715 -7.523 0.568 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.390 -9.267 0.424 1.00 0.00 H new ATOM 1168 N GLN A 79 3.859 -5.803 -5.253 1.00 0.00 N ATOM 1169 CA GLN A 79 4.707 -5.540 -6.397 1.00 0.00 C ATOM 1170 C GLN A 79 4.675 -4.050 -6.725 1.00 0.00 C ATOM 1171 O GLN A 79 3.614 -3.471 -6.821 1.00 0.00 O ATOM 1172 CB GLN A 79 4.184 -6.370 -7.560 1.00 0.00 C ATOM 1173 CG GLN A 79 4.825 -6.130 -8.910 1.00 0.00 C ATOM 1174 CD GLN A 79 6.309 -6.354 -8.923 1.00 0.00 C ATOM 1175 OE1 GLN A 79 7.058 -5.296 -8.801 1.00 0.00 O flip ATOM 1176 NE2 GLN A 79 6.776 -7.464 -9.135 1.00 0.00 N flip ATOM 0 H GLN A 79 3.043 -5.194 -5.195 1.00 0.00 H new ATOM 0 HA GLN A 79 5.742 -5.812 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.306 -7.423 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.114 -6.187 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.361 -6.788 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.618 -5.107 -9.223 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.156 -8.269 -9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 79 7.785 -7.585 -9.222 1.00 0.00 H new ATOM 1185 N VAL A 80 5.840 -3.443 -6.875 1.00 0.00 N ATOM 1186 CA VAL A 80 5.967 -2.014 -7.191 1.00 0.00 C ATOM 1187 C VAL A 80 7.002 -1.863 -8.262 1.00 0.00 C ATOM 1188 O VAL A 80 8.120 -2.285 -8.068 1.00 0.00 O ATOM 1189 CB VAL A 80 6.405 -1.177 -5.944 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.825 0.250 -6.315 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.300 -1.127 -4.928 1.00 0.00 C ATOM 0 H VAL A 80 6.735 -3.923 -6.782 1.00 0.00 H new ATOM 0 HA VAL A 80 4.995 -1.644 -7.517 1.00 0.00 H new ATOM 0 HB VAL A 80 7.274 -1.680 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.120 0.788 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.666 0.213 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.988 0.764 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.623 -0.541 -4.068 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.418 -0.665 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.056 -2.139 -4.606 1.00 0.00 H new ATOM 1201 N ASN A 81 6.565 -1.385 -9.411 1.00 0.00 N ATOM 1202 CA ASN A 81 7.383 -1.078 -10.592 1.00 0.00 C ATOM 1203 C ASN A 81 8.507 -2.069 -10.822 1.00 0.00 C ATOM 1204 O ASN A 81 9.684 -1.743 -10.749 1.00 0.00 O ATOM 1205 CB ASN A 81 7.878 0.358 -10.575 1.00 0.00 C ATOM 1206 CG ASN A 81 8.256 0.848 -11.967 1.00 0.00 C ATOM 1207 OD1 ASN A 81 7.260 1.257 -12.716 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 9.411 0.810 -12.378 1.00 0.00 N flip ATOM 0 H ASN A 81 5.577 -1.186 -9.565 1.00 0.00 H new ATOM 0 HA ASN A 81 6.722 -1.185 -11.452 1.00 0.00 H new ATOM 0 HB2 ASN A 81 7.103 1.004 -10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 81 8.743 0.436 -9.916 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.160 0.486 -11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 81 9.623 1.103 -13.332 1.00 0.00 H new ATOM 1215 N GLY A 82 8.111 -3.296 -10.986 1.00 0.00 N ATOM 1216 CA GLY A 82 9.022 -4.373 -11.265 1.00 0.00 C ATOM 1217 C GLY A 82 9.976 -4.770 -10.143 1.00 0.00 C ATOM 1218 O GLY A 82 10.840 -5.615 -10.355 1.00 0.00 O ATOM 0 H GLY A 82 7.134 -3.584 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.437 -5.251 -11.541 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.617 -4.099 -12.136 1.00 0.00 H new ATOM 1222 N TRP A 83 9.851 -4.186 -8.976 1.00 0.00 N ATOM 1223 CA TRP A 83 10.724 -4.572 -7.893 1.00 0.00 C ATOM 1224 C TRP A 83 10.128 -5.755 -7.022 1.00 0.00 C ATOM 1225 O TRP A 83 10.162 -6.897 -7.484 1.00 0.00 O ATOM 1226 CB TRP A 83 11.359 -3.308 -7.160 1.00 0.00 C ATOM 1227 CG TRP A 83 10.868 -2.896 -5.796 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.678 -2.312 -5.473 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.610 -2.982 -4.584 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.614 -2.099 -4.106 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.798 -2.484 -3.556 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.887 -3.449 -4.267 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.214 -2.438 -2.247 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.302 -3.400 -2.957 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.470 -2.895 -1.962 1.00 0.00 C ATOM 0 H TRP A 83 9.171 -3.459 -8.754 1.00 0.00 H new ATOM 0 HA TRP A 83 11.617 -5.054 -8.291 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.431 -3.488 -7.077 1.00 0.00 H new ATOM 0 HB3 TRP A 83 11.230 -2.452 -7.822 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.902 -2.054 -6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.816 -1.718 -3.598 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.536 -3.841 -5.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.570 -2.054 -1.470 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.287 -3.758 -2.697 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.825 -2.864 -0.942 1.00 0.00 H new ATOM 1246 N ASP A 84 9.530 -5.486 -5.854 1.00 0.00 N ATOM 1247 CA ASP A 84 8.939 -6.500 -4.958 1.00 0.00 C ATOM 1248 C ASP A 84 8.527 -5.784 -3.710 1.00 0.00 C ATOM 1249 O ASP A 84 9.368 -5.228 -3.021 1.00 0.00 O ATOM 1250 CB ASP A 84 9.972 -7.530 -4.561 1.00 0.00 C ATOM 1251 CG ASP A 84 9.454 -8.610 -3.660 1.00 0.00 C ATOM 1252 OD1 ASP A 84 9.495 -8.442 -2.417 1.00 0.00 O ATOM 1253 OD2 ASP A 84 9.040 -9.675 -4.178 1.00 0.00 O ATOM 0 H ASP A 84 9.439 -4.536 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 84 8.109 -6.997 -5.461 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.375 -7.989 -5.464 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.799 -7.024 -4.063 1.00 0.00 H new ATOM 1258 N MET A 85 7.271 -5.765 -3.415 1.00 0.00 N ATOM 1259 CA MET A 85 6.828 -5.000 -2.261 1.00 0.00 C ATOM 1260 C MET A 85 6.260 -5.929 -1.211 1.00 0.00 C ATOM 1261 O MET A 85 5.894 -5.508 -0.110 1.00 0.00 O ATOM 1262 CB MET A 85 5.766 -4.027 -2.695 1.00 0.00 C ATOM 1263 CG MET A 85 5.742 -2.753 -1.902 1.00 0.00 C ATOM 1264 SD MET A 85 7.249 -1.804 -2.161 1.00 0.00 S ATOM 1265 CE MET A 85 6.773 -0.269 -1.431 1.00 0.00 C ATOM 0 H MET A 85 6.537 -6.251 -3.931 1.00 0.00 H new ATOM 0 HA MET A 85 7.676 -4.461 -1.837 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.918 -3.785 -3.747 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.792 -4.510 -2.617 1.00 0.00 H new ATOM 0 HG2 MET A 85 4.878 -2.156 -2.192 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.630 -2.982 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 85 7.649 0.372 -1.328 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.036 0.223 -2.066 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.340 -0.453 -0.448 1.00 0.00 H new ATOM 1275 N THR A 86 6.226 -7.193 -1.561 1.00 0.00 N ATOM 1276 CA THR A 86 5.613 -8.220 -0.734 1.00 0.00 C ATOM 1277 C THR A 86 6.347 -8.414 0.609 1.00 0.00 C ATOM 1278 O THR A 86 5.735 -8.782 1.621 1.00 0.00 O ATOM 1279 CB THR A 86 5.466 -9.566 -1.522 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.757 -10.557 -0.751 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.812 -10.106 -1.948 1.00 0.00 C ATOM 0 H THR A 86 6.624 -7.546 -2.432 1.00 0.00 H new ATOM 0 HA THR A 86 4.611 -7.872 -0.483 1.00 0.00 H new ATOM 0 HB THR A 86 4.883 -9.347 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.832 -10.264 -0.613 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.674 -11.040 -2.492 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.308 -9.380 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.427 -10.287 -1.066 1.00 0.00 H new ATOM 1289 N MET A 87 7.632 -8.137 0.630 1.00 0.00 N ATOM 1290 CA MET A 87 8.401 -8.263 1.836 1.00 0.00 C ATOM 1291 C MET A 87 9.486 -7.206 1.859 1.00 0.00 C ATOM 1292 O MET A 87 10.588 -7.413 1.368 1.00 0.00 O ATOM 1293 CB MET A 87 8.990 -9.677 1.976 1.00 0.00 C ATOM 1294 CG MET A 87 9.711 -9.929 3.293 1.00 0.00 C ATOM 1295 SD MET A 87 10.352 -11.611 3.441 1.00 0.00 S ATOM 1296 CE MET A 87 8.844 -12.578 3.314 1.00 0.00 C ATOM 0 H MET A 87 8.163 -7.822 -0.182 1.00 0.00 H new ATOM 0 HA MET A 87 7.744 -8.107 2.692 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.185 -10.405 1.871 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.686 -9.851 1.155 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.536 -9.223 3.390 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.026 -9.734 4.118 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.007 -13.565 3.748 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.042 -12.073 3.852 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.567 -12.684 2.265 1.00 0.00 H new ATOM 1306 N VAL A 88 9.141 -6.056 2.367 1.00 0.00 N ATOM 1307 CA VAL A 88 10.058 -4.951 2.450 1.00 0.00 C ATOM 1308 C VAL A 88 9.724 -4.088 3.665 1.00 0.00 C ATOM 1309 O VAL A 88 8.562 -4.061 4.136 1.00 0.00 O ATOM 1310 CB VAL A 88 10.047 -4.105 1.134 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.673 -3.554 0.831 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.068 -2.994 1.199 1.00 0.00 C ATOM 0 H VAL A 88 8.212 -5.857 2.737 1.00 0.00 H new ATOM 0 HA VAL A 88 11.067 -5.346 2.571 1.00 0.00 H new ATOM 0 HB VAL A 88 10.317 -4.774 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.709 -2.973 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.969 -4.377 0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.349 -2.914 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.041 -2.420 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 88 10.839 -2.338 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.062 -3.421 1.333 1.00 0.00 H new ATOM 1322 N THR A 89 10.741 -3.469 4.226 1.00 0.00 N ATOM 1323 CA THR A 89 10.606 -2.600 5.342 1.00 0.00 C ATOM 1324 C THR A 89 9.936 -1.321 4.932 1.00 0.00 C ATOM 1325 O THR A 89 9.970 -0.942 3.768 1.00 0.00 O ATOM 1326 CB THR A 89 11.986 -2.276 5.948 1.00 0.00 C ATOM 1327 OG1 THR A 89 12.927 -2.057 4.894 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.469 -3.378 6.867 1.00 0.00 C ATOM 0 H THR A 89 11.702 -3.568 3.900 1.00 0.00 H new ATOM 0 HA THR A 89 9.995 -3.106 6.090 1.00 0.00 H new ATOM 0 HB THR A 89 11.892 -1.372 6.550 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.730 -2.594 5.056 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.445 -3.111 7.273 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.759 -3.508 7.684 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.552 -4.309 6.306 1.00 0.00 H new ATOM 1336 N HIS A 90 9.325 -0.677 5.891 1.00 0.00 N ATOM 1337 CA HIS A 90 8.680 0.607 5.704 1.00 0.00 C ATOM 1338 C HIS A 90 9.691 1.583 5.136 1.00 0.00 C ATOM 1339 O HIS A 90 9.406 2.283 4.188 1.00 0.00 O ATOM 1340 CB HIS A 90 8.163 1.112 7.065 1.00 0.00 C ATOM 1341 CG HIS A 90 7.369 2.392 7.043 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.029 2.452 7.314 1.00 0.00 N ATOM 1343 CD2 HIS A 90 7.741 3.657 6.753 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.621 3.698 7.162 1.00 0.00 C ATOM 1345 NE2 HIS A 90 6.623 4.489 6.827 1.00 0.00 N ATOM 0 H HIS A 90 9.257 -1.033 6.845 1.00 0.00 H new ATOM 0 HA HIS A 90 7.841 0.515 5.015 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.543 0.332 7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.018 1.251 7.726 1.00 0.00 H new ATOM 0 HD2 HIS A 90 8.743 3.974 6.504 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.601 4.027 7.294 1.00 0.00 H new ATOM 0 HE2 HIS A 90 6.588 5.494 6.658 1.00 0.00 H new ATOM 1353 N ASP A 91 10.880 1.553 5.693 1.00 0.00 N ATOM 1354 CA ASP A 91 11.957 2.449 5.309 1.00 0.00 C ATOM 1355 C ASP A 91 12.341 2.271 3.858 1.00 0.00 C ATOM 1356 O ASP A 91 12.427 3.250 3.098 1.00 0.00 O ATOM 1357 CB ASP A 91 13.176 2.209 6.164 1.00 0.00 C ATOM 1358 CG ASP A 91 14.245 3.246 5.889 1.00 0.00 C ATOM 1359 OD1 ASP A 91 14.134 4.375 6.397 1.00 0.00 O ATOM 1360 OD2 ASP A 91 15.183 2.977 5.127 1.00 0.00 O ATOM 0 H ASP A 91 11.134 0.900 6.434 1.00 0.00 H new ATOM 0 HA ASP A 91 11.592 3.466 5.455 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.897 2.239 7.217 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.572 1.213 5.968 1.00 0.00 H new ATOM 1365 N GLN A 92 12.543 1.025 3.466 1.00 0.00 N ATOM 1366 CA GLN A 92 12.943 0.713 2.104 1.00 0.00 C ATOM 1367 C GLN A 92 11.811 0.971 1.130 1.00 0.00 C ATOM 1368 O GLN A 92 12.032 1.392 0.003 1.00 0.00 O ATOM 1369 CB GLN A 92 13.473 -0.722 1.985 1.00 0.00 C ATOM 1370 CG GLN A 92 15.006 -0.838 1.981 1.00 0.00 C ATOM 1371 CD GLN A 92 15.704 -0.320 3.241 1.00 0.00 C ATOM 1372 OE1 GLN A 92 16.812 0.188 3.167 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.117 -0.501 4.389 1.00 0.00 N ATOM 0 H GLN A 92 12.437 0.212 4.072 1.00 0.00 H new ATOM 0 HA GLN A 92 13.764 1.380 1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.079 -1.311 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.086 -1.164 1.067 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.274 -1.885 1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.393 -0.292 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.191 -0.927 4.427 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.583 -0.216 5.251 1.00 0.00 H new ATOM 1382 N ALA A 93 10.609 0.765 1.598 1.00 0.00 N ATOM 1383 CA ALA A 93 9.419 0.990 0.823 1.00 0.00 C ATOM 1384 C ALA A 93 9.198 2.465 0.584 1.00 0.00 C ATOM 1385 O ALA A 93 8.834 2.882 -0.518 1.00 0.00 O ATOM 1386 CB ALA A 93 8.257 0.431 1.555 1.00 0.00 C ATOM 0 H ALA A 93 10.427 0.431 2.544 1.00 0.00 H new ATOM 0 HA ALA A 93 9.532 0.500 -0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.348 0.596 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.402 -0.639 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.165 0.924 2.523 1.00 0.00 H new ATOM 1392 N ARG A 94 9.406 3.260 1.620 1.00 0.00 N ATOM 1393 CA ARG A 94 9.286 4.705 1.519 1.00 0.00 C ATOM 1394 C ARG A 94 10.291 5.211 0.497 1.00 0.00 C ATOM 1395 O ARG A 94 9.986 6.020 -0.354 1.00 0.00 O ATOM 1396 CB ARG A 94 9.527 5.377 2.881 1.00 0.00 C ATOM 1397 CG ARG A 94 8.453 5.150 3.916 1.00 0.00 C ATOM 1398 CD ARG A 94 7.131 5.796 3.560 1.00 0.00 C ATOM 1399 NE ARG A 94 7.172 7.254 3.641 1.00 0.00 N ATOM 1400 CZ ARG A 94 6.143 8.041 3.993 1.00 0.00 C ATOM 1401 NH1 ARG A 94 5.030 7.516 4.518 1.00 0.00 N ATOM 1402 NH2 ARG A 94 6.261 9.350 3.892 1.00 0.00 N ATOM 0 H ARG A 94 9.661 2.925 2.549 1.00 0.00 H new ATOM 0 HA ARG A 94 8.274 4.957 1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.475 5.017 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 94 9.634 6.450 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.303 4.078 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.794 5.541 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.848 5.501 2.549 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.357 5.421 4.230 1.00 0.00 H new ATOM 0 HE ARG A 94 8.054 7.711 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.957 6.508 4.655 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.255 8.124 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.130 9.759 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.483 9.954 4.158 1.00 0.00 H new ATOM 1416 N LYS A 95 11.430 4.584 0.500 1.00 0.00 N ATOM 1417 CA LYS A 95 12.540 4.909 -0.367 1.00 0.00 C ATOM 1418 C LYS A 95 12.323 4.227 -1.746 1.00 0.00 C ATOM 1419 O LYS A 95 13.238 4.039 -2.526 1.00 0.00 O ATOM 1420 CB LYS A 95 13.829 4.435 0.337 1.00 0.00 C ATOM 1421 CG LYS A 95 15.153 4.781 -0.344 1.00 0.00 C ATOM 1422 CD LYS A 95 16.345 4.385 0.530 1.00 0.00 C ATOM 1423 CE LYS A 95 16.341 2.896 0.886 1.00 0.00 C ATOM 1424 NZ LYS A 95 17.494 2.522 1.731 1.00 0.00 N ATOM 0 H LYS A 95 11.626 3.803 1.126 1.00 0.00 H new ATOM 0 HA LYS A 95 12.620 5.980 -0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 95 13.843 4.858 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.777 3.352 0.448 1.00 0.00 H new ATOM 0 HG2 LYS A 95 15.216 4.268 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.190 5.851 -0.551 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.271 4.628 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.331 4.975 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.416 2.651 1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.357 2.305 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 17.283 1.637 2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 18.334 2.388 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.678 3.278 2.422 1.00 0.00 H new ATOM 1438 N ARG A 96 11.074 3.894 -2.022 1.00 0.00 N ATOM 1439 CA ARG A 96 10.671 3.296 -3.272 1.00 0.00 C ATOM 1440 C ARG A 96 9.432 3.929 -3.833 1.00 0.00 C ATOM 1441 O ARG A 96 9.352 4.178 -5.032 1.00 0.00 O ATOM 1442 CB ARG A 96 10.559 1.767 -3.195 1.00 0.00 C ATOM 1443 CG ARG A 96 11.842 1.039 -3.561 1.00 0.00 C ATOM 1444 CD ARG A 96 12.116 1.212 -5.044 1.00 0.00 C ATOM 1445 NE ARG A 96 13.374 0.623 -5.480 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.789 0.599 -6.753 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.015 1.088 -7.716 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.976 0.099 -7.057 1.00 0.00 N ATOM 0 H ARG A 96 10.303 4.036 -1.370 1.00 0.00 H new ATOM 0 HA ARG A 96 11.476 3.504 -3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.267 1.484 -2.184 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.762 1.436 -3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 96 12.675 1.432 -2.978 1.00 0.00 H new ATOM 0 HG3 ARG A 96 11.754 -0.020 -3.317 1.00 0.00 H new ATOM 0 HD2 ARG A 96 11.300 0.763 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 96 12.122 2.276 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 96 13.976 0.203 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.103 1.483 -7.486 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.333 1.069 -8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.578 -0.270 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.289 0.082 -8.028 1.00 0.00 H new ATOM 1462 N LEU A 97 8.476 4.190 -2.999 1.00 0.00 N ATOM 1463 CA LEU A 97 7.272 4.831 -3.470 1.00 0.00 C ATOM 1464 C LEU A 97 7.200 6.319 -3.191 1.00 0.00 C ATOM 1465 O LEU A 97 6.576 7.055 -3.914 1.00 0.00 O ATOM 1466 CB LEU A 97 6.050 4.090 -2.998 1.00 0.00 C ATOM 1467 CG LEU A 97 6.042 3.600 -1.569 1.00 0.00 C ATOM 1468 CD1 LEU A 97 5.964 4.738 -0.558 1.00 0.00 C ATOM 1469 CD2 LEU A 97 4.910 2.677 -1.407 1.00 0.00 C ATOM 0 H LEU A 97 8.496 3.976 -2.002 1.00 0.00 H new ATOM 0 HA LEU A 97 7.305 4.771 -4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.187 4.742 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.906 3.229 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 97 6.984 3.089 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.961 4.328 0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.826 5.394 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.049 5.307 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.884 2.310 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.980 3.200 -1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 97 5.026 1.836 -2.091 1.00 0.00 H new ATOM 1481 N THR A 98 7.823 6.766 -2.156 1.00 0.00 N ATOM 1482 CA THR A 98 7.798 8.185 -1.913 1.00 0.00 C ATOM 1483 C THR A 98 9.153 8.786 -2.230 1.00 0.00 C ATOM 1484 O THR A 98 9.469 9.927 -1.845 1.00 0.00 O ATOM 1485 CB THR A 98 7.224 8.599 -0.505 1.00 0.00 C ATOM 1486 OG1 THR A 98 7.156 10.026 -0.379 1.00 0.00 O ATOM 1487 CG2 THR A 98 8.041 8.051 0.631 1.00 0.00 C ATOM 0 H THR A 98 8.341 6.203 -1.481 1.00 0.00 H new ATOM 0 HA THR A 98 7.070 8.619 -2.599 1.00 0.00 H new ATOM 0 HB THR A 98 6.223 8.171 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.969 10.426 -0.753 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.603 8.365 1.579 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.052 6.962 0.579 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.061 8.428 0.560 1.00 0.00 H new ATOM 1495 N LYS A 99 9.967 8.002 -2.937 1.00 0.00 N ATOM 1496 CA LYS A 99 11.180 8.524 -3.498 1.00 0.00 C ATOM 1497 C LYS A 99 10.816 9.416 -4.708 1.00 0.00 C ATOM 1498 O LYS A 99 9.661 9.468 -5.116 1.00 0.00 O ATOM 1499 CB LYS A 99 12.085 7.404 -3.970 1.00 0.00 C ATOM 1500 CG LYS A 99 11.472 6.593 -5.082 1.00 0.00 C ATOM 1501 CD LYS A 99 12.512 6.013 -6.003 1.00 0.00 C ATOM 1502 CE LYS A 99 13.462 5.072 -5.308 1.00 0.00 C ATOM 1503 NZ LYS A 99 14.323 4.361 -6.275 1.00 0.00 N ATOM 0 H LYS A 99 9.797 7.014 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 99 11.706 9.096 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.031 7.825 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.313 6.748 -3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 99 10.877 5.786 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 99 10.791 7.222 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 99 12.014 5.482 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.081 6.825 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 99 14.083 5.631 -4.609 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.895 4.348 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 14.905 3.661 -5.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.729 3.877 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 14.942 5.044 -6.756 1.00 0.00 H new ATOM 1517 N ARG A 100 11.793 10.057 -5.298 1.00 0.00 N ATOM 1518 CA ARG A 100 11.528 10.947 -6.417 1.00 0.00 C ATOM 1519 C ARG A 100 12.315 10.547 -7.672 1.00 0.00 C ATOM 1520 O ARG A 100 12.321 11.272 -8.672 1.00 0.00 O ATOM 1521 CB ARG A 100 11.846 12.382 -6.024 1.00 0.00 C ATOM 1522 CG ARG A 100 13.270 12.580 -5.549 1.00 0.00 C ATOM 1523 CD ARG A 100 13.572 14.046 -5.309 1.00 0.00 C ATOM 1524 NE ARG A 100 12.799 14.572 -4.174 1.00 0.00 N ATOM 1525 CZ ARG A 100 12.358 15.828 -4.032 1.00 0.00 C ATOM 1526 NH1 ARG A 100 12.479 16.718 -5.010 1.00 0.00 N ATOM 1527 NH2 ARG A 100 11.765 16.194 -2.902 1.00 0.00 N ATOM 0 H ARG A 100 12.775 9.985 -5.030 1.00 0.00 H new ATOM 0 HA ARG A 100 10.469 10.865 -6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.663 13.033 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 100 11.162 12.694 -5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.430 12.018 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.962 12.181 -6.291 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.637 14.173 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.340 14.619 -6.207 1.00 0.00 H new ATOM 0 HE ARG A 100 12.578 13.918 -3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.915 16.450 -5.892 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.136 17.669 -4.879 1.00 0.00 H new ATOM 0 HH21 ARG A 100 11.647 15.519 -2.146 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.428 17.150 -2.790 1.00 0.00 H new ATOM 1541 N SER A 101 12.988 9.410 -7.615 1.00 0.00 N ATOM 1542 CA SER A 101 13.752 8.931 -8.752 1.00 0.00 C ATOM 1543 C SER A 101 12.814 8.369 -9.815 1.00 0.00 C ATOM 1544 O SER A 101 13.028 8.560 -11.012 1.00 0.00 O ATOM 1545 CB SER A 101 14.767 7.871 -8.316 1.00 0.00 C ATOM 1546 OG SER A 101 15.653 7.514 -9.378 1.00 0.00 O ATOM 0 H SER A 101 13.020 8.804 -6.795 1.00 0.00 H new ATOM 0 HA SER A 101 14.302 9.770 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.345 8.247 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.238 6.983 -7.970 1.00 0.00 H new ATOM 0 HG SER A 101 16.287 6.837 -9.062 1.00 0.00 H new ATOM 1552 N GLU A 102 11.784 7.697 -9.383 1.00 0.00 N ATOM 1553 CA GLU A 102 10.825 7.146 -10.305 1.00 0.00 C ATOM 1554 C GLU A 102 9.744 8.160 -10.616 1.00 0.00 C ATOM 1555 O GLU A 102 9.722 9.262 -10.047 1.00 0.00 O ATOM 1556 CB GLU A 102 10.209 5.815 -9.810 1.00 0.00 C ATOM 1557 CG GLU A 102 11.078 4.564 -10.021 1.00 0.00 C ATOM 1558 CD GLU A 102 12.362 4.530 -9.221 1.00 0.00 C ATOM 1559 OE1 GLU A 102 13.390 5.063 -9.686 1.00 0.00 O ATOM 1560 OE2 GLU A 102 12.378 3.928 -8.129 1.00 0.00 O ATOM 0 H GLU A 102 11.585 7.516 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 102 11.366 6.912 -11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.991 5.909 -8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.257 5.664 -10.318 1.00 0.00 H new ATOM 0 HG2 GLU A 102 10.487 3.684 -9.768 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.326 4.488 -11.080 1.00 0.00 H new ATOM 1567 N GLU A 103 8.886 7.812 -11.532 1.00 0.00 N ATOM 1568 CA GLU A 103 7.796 8.662 -11.905 1.00 0.00 C ATOM 1569 C GLU A 103 6.529 7.857 -12.076 1.00 0.00 C ATOM 1570 O GLU A 103 5.539 8.103 -11.418 1.00 0.00 O ATOM 1571 CB GLU A 103 8.140 9.474 -13.157 1.00 0.00 C ATOM 1572 CG GLU A 103 8.690 8.682 -14.318 1.00 0.00 C ATOM 1573 CD GLU A 103 9.168 9.569 -15.433 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.296 10.069 -15.361 1.00 0.00 O ATOM 1575 OE2 GLU A 103 8.414 9.789 -16.394 1.00 0.00 O ATOM 0 H GLU A 103 8.924 6.929 -12.041 1.00 0.00 H new ATOM 0 HA GLU A 103 7.619 9.377 -11.101 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.242 9.994 -13.489 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.868 10.238 -12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.515 8.059 -13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.919 8.010 -14.695 1.00 0.00 H new ATOM 1582 N VAL A 104 6.563 6.909 -12.954 1.00 0.00 N ATOM 1583 CA VAL A 104 5.448 6.042 -13.154 1.00 0.00 C ATOM 1584 C VAL A 104 5.762 4.729 -12.513 1.00 0.00 C ATOM 1585 O VAL A 104 6.822 4.151 -12.752 1.00 0.00 O ATOM 1586 CB VAL A 104 5.114 5.815 -14.642 1.00 0.00 C ATOM 1587 CG1 VAL A 104 3.907 4.929 -14.772 1.00 0.00 C ATOM 1588 CG2 VAL A 104 4.905 7.125 -15.370 1.00 0.00 C ATOM 0 H VAL A 104 7.365 6.713 -13.553 1.00 0.00 H new ATOM 0 HA VAL A 104 4.573 6.514 -12.707 1.00 0.00 H new ATOM 0 HB VAL A 104 5.965 5.318 -15.109 1.00 0.00 H new ATOM 0 HG11 VAL A 104 3.680 4.775 -15.827 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.109 3.967 -14.301 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.055 5.401 -14.283 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.671 6.927 -16.416 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.080 7.669 -14.911 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.813 7.724 -15.308 1.00 0.00 H new ATOM 1598 N VAL A 105 4.897 4.280 -11.688 1.00 0.00 N ATOM 1599 CA VAL A 105 5.087 3.046 -11.009 1.00 0.00 C ATOM 1600 C VAL A 105 3.943 2.103 -11.301 1.00 0.00 C ATOM 1601 O VAL A 105 2.812 2.531 -11.471 1.00 0.00 O ATOM 1602 CB VAL A 105 5.259 3.238 -9.495 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.605 3.888 -9.180 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.143 4.099 -8.968 1.00 0.00 C ATOM 0 H VAL A 105 4.026 4.759 -11.458 1.00 0.00 H new ATOM 0 HA VAL A 105 6.012 2.607 -11.383 1.00 0.00 H new ATOM 0 HB VAL A 105 5.228 2.260 -9.014 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.705 4.014 -8.102 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.411 3.252 -9.547 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.661 4.862 -9.666 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.265 4.235 -7.893 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.168 5.070 -9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.186 3.616 -9.166 1.00 0.00 H new ATOM 1614 N ARG A 106 4.238 0.830 -11.312 1.00 0.00 N ATOM 1615 CA ARG A 106 3.279 -0.183 -11.682 1.00 0.00 C ATOM 1616 C ARG A 106 3.133 -1.057 -10.481 1.00 0.00 C ATOM 1617 O ARG A 106 4.043 -1.805 -10.149 1.00 0.00 O ATOM 1618 CB ARG A 106 3.809 -1.010 -12.854 1.00 0.00 C ATOM 1619 CG ARG A 106 4.240 -0.206 -14.062 1.00 0.00 C ATOM 1620 CD ARG A 106 4.767 -1.112 -15.161 1.00 0.00 C ATOM 1621 NE ARG A 106 5.816 -2.026 -14.670 1.00 0.00 N ATOM 1622 CZ ARG A 106 7.114 -1.970 -15.005 1.00 0.00 C ATOM 1623 NH1 ARG A 106 7.590 -0.932 -15.695 1.00 0.00 N ATOM 1624 NH2 ARG A 106 7.938 -2.937 -14.612 1.00 0.00 N ATOM 0 H ARG A 106 5.156 0.462 -11.063 1.00 0.00 H new ATOM 0 HA ARG A 106 2.330 0.258 -11.988 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.657 -1.601 -12.508 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.035 -1.713 -13.162 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.396 0.373 -14.437 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.012 0.507 -13.772 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.944 -1.694 -15.576 1.00 0.00 H new ATOM 0 HD3 ARG A 106 5.167 -0.503 -15.972 1.00 0.00 H new ATOM 0 HE ARG A 106 5.531 -2.761 -14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 106 6.966 -0.174 -15.971 1.00 0.00 H new ATOM 0 HH12 ARG A 106 8.578 -0.896 -15.946 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.582 -3.717 -14.059 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.926 -2.899 -14.864 1.00 0.00 H new ATOM 1638 N LEU A 107 2.076 -0.909 -9.784 1.00 0.00 N ATOM 1639 CA LEU A 107 1.943 -1.577 -8.539 1.00 0.00 C ATOM 1640 C LEU A 107 0.910 -2.650 -8.644 1.00 0.00 C ATOM 1641 O LEU A 107 -0.015 -2.554 -9.439 1.00 0.00 O ATOM 1642 CB LEU A 107 1.506 -0.608 -7.427 1.00 0.00 C ATOM 1643 CG LEU A 107 2.130 0.798 -7.370 1.00 0.00 C ATOM 1644 CD1 LEU A 107 3.611 0.798 -7.605 1.00 0.00 C ATOM 1645 CD2 LEU A 107 1.405 1.776 -8.274 1.00 0.00 C ATOM 0 H LEU A 107 1.281 -0.328 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 107 2.917 -1.999 -8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.426 -0.485 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.704 -1.094 -6.472 1.00 0.00 H new ATOM 0 HG LEU A 107 1.995 1.146 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.988 1.819 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.100 0.190 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.823 0.384 -8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.878 2.756 -8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.453 1.423 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 107 0.363 1.853 -7.965 1.00 0.00 H new ATOM 1657 N LEU A 108 1.064 -3.649 -7.857 1.00 0.00 N ATOM 1658 CA LEU A 108 0.084 -4.681 -7.741 1.00 0.00 C ATOM 1659 C LEU A 108 -0.289 -4.816 -6.312 1.00 0.00 C ATOM 1660 O LEU A 108 0.573 -5.083 -5.447 1.00 0.00 O ATOM 1661 CB LEU A 108 0.545 -6.019 -8.297 1.00 0.00 C ATOM 1662 CG LEU A 108 -0.125 -6.469 -9.585 1.00 0.00 C ATOM 1663 CD1 LEU A 108 0.415 -5.704 -10.781 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.013 -7.958 -9.774 1.00 0.00 C ATOM 0 H LEU A 108 1.883 -3.782 -7.264 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.777 -4.391 -8.344 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.620 -5.968 -8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.379 -6.783 -7.538 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.189 -6.244 -9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.083 -6.048 -11.688 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.228 -4.639 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.488 -5.876 -10.869 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.475 -8.254 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.069 -8.223 -9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.456 -8.476 -8.937 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.533 -4.598 -6.041 1.00 0.00 N ATOM 1677 CA VAL A 109 -2.015 -4.633 -4.701 1.00 0.00 C ATOM 1678 C VAL A 109 -2.937 -5.789 -4.489 1.00 0.00 C ATOM 1679 O VAL A 109 -3.643 -6.222 -5.413 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.687 -3.310 -4.255 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.724 -2.151 -4.376 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -3.945 -3.029 -5.036 1.00 0.00 C ATOM 0 H VAL A 109 -2.244 -4.391 -6.742 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.135 -4.762 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.966 -3.427 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.218 -1.233 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.854 -2.333 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.405 -2.050 -5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.385 -2.093 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.705 -2.950 -6.096 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.656 -3.841 -4.885 1.00 0.00 H new ATOM 1692 N THR A 110 -2.908 -6.308 -3.310 1.00 0.00 N ATOM 1693 CA THR A 110 -3.750 -7.377 -2.950 1.00 0.00 C ATOM 1694 C THR A 110 -4.689 -6.913 -1.855 1.00 0.00 C ATOM 1695 O THR A 110 -4.261 -6.317 -0.862 1.00 0.00 O ATOM 1696 CB THR A 110 -2.945 -8.624 -2.497 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.044 -8.285 -1.428 1.00 0.00 O ATOM 1698 CG2 THR A 110 -2.145 -9.210 -3.649 1.00 0.00 C ATOM 0 H THR A 110 -2.288 -5.992 -2.565 1.00 0.00 H new ATOM 0 HA THR A 110 -4.324 -7.680 -3.826 1.00 0.00 H new ATOM 0 HB THR A 110 -3.664 -9.366 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.546 -9.083 -1.154 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.592 -10.082 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.823 -9.506 -4.449 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.446 -8.462 -4.024 1.00 0.00 H new